NanoFocUL 1: Overview

Modeling of the electronic structure and transport properties of molecular and nano-electric junctions is one of the main focus areas of the CNMS. This NanoFocUL aims to build a user community for the CNMS through an open discussion of important topics within the focus area. The emphasis of the NanoFocUL will be on the fundamentals of the quantum transport theory and the modeling of molecular structures that present theoretical challenges as well as significant potentials for application.

Our main lecturers include Prof. Markus Buttiker (Univ. of Geneva, Switzerland), who will talk about advances in the area of quantum transport theory. A necessary ingredient in any first-principles modeling of quantum transport is the use of the Green’s function method. This topic will be covered by Prof. Mark Jarrell (University of Cincinnati). Lectures on nonlinear response effect, localized basis functions, and quantum chemistry will be given by other experts in their respective fields. These lectures will serve as the basis for open discussions in the open user work sessions.